CYCLOFENIL

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC G03GB01
UNII J468V64WZ1
EPA CompTox DTXSID4022866

Structure

InChI Key GVOUFPWUYJWQSK-UHFFFAOYSA-N
Smiles CC(=O)Oc1ccc(C(=C2CCCCC2)c2ccc(OC(C)=O)cc2)cc1
InChI
InChI=1S/C23H24O4/c1-16(24)26-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)27-17(2)25/h8-15H,3-7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H24O4
Molecular Weight 364.44
AlogP 5.3
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 52.6
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Estrogen receptor modulator MODULATOR PubMed PubMed PubMed PubMed PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group A Nuclear hormone receptor subfamily 3 group A member 1
26 27 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
26 27 - - -

Target Conservation

Protein: Estrogen receptor
Description: Estrogen receptor
Organism : Homo sapiens
P03372 ENSG00000091831
Protein: Estrogen receptor
Description: Estrogen receptor beta
Organism : Homo sapiens
Q92731 ENSG00000140009

Cross References

Resources Reference
ChEBI 31446
ChEMBL CHEMBL141305
DrugBank DB13472
DrugCentral 753
FDA SRS J468V64WZ1
PubChem 2898
SureChEMBL SCHEMBL132246
ZINC ZINC000000608288
CONTENTS